(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone

C15H13ClN2O — CID 16795435

IUPAC(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESNc1ccc(Cl)cc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H13ClN2O/c16-11-5-6-13(17)12(9-11)15(19)18-8-7-10-3-1-2-4-14(10)18/h1-6,9H,7-8,17H2
InChIKeyJAXVPOXDKLMXNI-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.13
Rot. Bonds1

About (2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone

(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 16795435) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID16795435
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESNc1ccc(Cl)cc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H13ClN2O/c16-11-5-6-13(17)12(9-11)15(19)18-8-7-10-3-1-2-4-14(10)18/h1-6,9H,7-8,17H2
InChIKeyJAXVPOXDKLMXNI-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 83209696
(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 55099809
(2-amino-5-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63155033
(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114455689
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619950
(2-chlorofuran-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 106685283
(2-aminothiophen-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117213470
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 2661506
(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
[2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 18205239

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone (CID 16795435) is (2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone is Nc1ccc(Cl)cc1C(=O)N1CCc2ccccc21.
What is the InChIKey of (2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is JAXVPOXDKLMXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-11-5-6-13(17)12(9-11)15(19)18-8-7-10-3-1-2-4-14(10)18/h1-6,9H,7-8,17H2.
What are the key properties of (2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 272.74 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 16795435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).